1-(2-chloranylpyridin-3-yl)carbonyl-4-(phenylmethyl)piperidine-4-carboxylic acid

Systemtic Name: 1-(2-chloranylpyridin-3-yl)carbonyl-4-(phenylmethyl)piperidine-4-carboxylic acid Openeye Name: 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid CAS Name: 1-[(2-chloro-3-pyridinyl)-oxomethyl]-4-(phenylmethyl)-4-piperidinecarboxylic acid IUPAC Name: 4-benzyl-1-(2-chloropyridine-3-carbonyl)piperidine-4-carboxylic acid Traditional Name: 4-benzyl-1-(2-chloronicotinoyl)isonipecotic acid Formula: C19H19ClN2O3 MolecularWeight: 358.81876

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=C(N=CC=C3)Cl

Isomeric SMILES

C1CN(CCC1(CC2=CC=CC=C2)C(=O)O)C(=O)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C19H19ClN2O3/c20-16-15(7-4-10-21-16)17(23)22-11-8-19(9-12-22,18(24)25)13-14-5-2-1-3-6-14/h1-7,10H,8-9,11-13H2,(H,24,25)